2016/01/31 by Reza Nourafkan, R. Nourafkan, A. -M. S. Tremblay +1 · 5 citations
Materials Science · Mathematics · Physics and Astronomy · #Basis (linear algebra) #Computer science #Condensed matter physics #Electronic structure #Geometry #Hamiltonian (control theory) #Homogeneous space #Iron-based superconductors research #Mathematics #Observable #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Rare-earth and actinide compounds #Space (punctuation) #Superconductivity #Theoretical physics #Tight binding #Wave function #cond-mat.mtrl-sci #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.96.125140
published in Physical review. B./Physical review. B 96(12) (American Physical Society)
openalex publication_date 2017/09/21 · arxiv created 2017/09/29 · arxiv updated 2017/10/02 · openalex created_date 2017/10/06 · openalex updated_date 2026/08/05
The orbital basis is natural when one needs to calculate the effect of local interactions or to unravel the role of orbital physics in the response to external probes. In systems with nonsymmorphic point groups, such as the iron-based superconductors, we show that symmetries that emerge in observable response functions at certain wave vectors are absent from generalized susceptibilities calculated with tight-binding Hamiltonians in the orbital basis. Such symmetries are recovered only when the generalized susceptibilities are embeded back to the continuum using appropriate matrix elements between basis states. This is illustrated with the case of LiFeAs and is further clarified using a minimal tight-binding Hamiltonian with nonsymmorphic space group.